1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine

C28H30N2O2 — CID 24736116

IUPAC1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3cc4cc(-c5ccc(C)cc5)ccc4o3)CC2)cc1
InChIInChI=1S/C28H30N2O2/c1-21-3-7-23(8-4-21)24-9-12-28-25(17-24)18-27(32-28)20-30-15-13-29(14-16-30)19-22-5-10-26(31-2)11-6-22/h3-12,17-18H,13-16,19-20H2,1-2H3
InChIKeyJNIUCFSFQPQSEP-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.73
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine

1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine (PubChem CID 24736116) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine
PubChem CID24736116
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3cc4cc(-c5ccc(C)cc5)ccc4o3)CC2)cc1
InChIInChI=1S/C28H30N2O2/c1-21-3-7-23(8-4-21)24-9-12-28-25(17-24)18-27(32-28)20-30-15-13-29(14-16-30)19-22-5-10-26(31-2)11-6-22/h3-12,17-18H,13-16,19-20H2,1-2H3
InChIKeyJNIUCFSFQPQSEP-UHFFFAOYSA-N
XLogP5.73
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine with MolForge

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Related Compounds

1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 24736188
1-[(4-methoxyphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine;hydrochloride
CID 24736258
1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736094
1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane
CID 24737233
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
CID 3067874
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736156
1-ethyl-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736185
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
CID 155516154
1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736162
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine (CID 24736116) is 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine is COc1ccc(CN2CCN(Cc3cc4cc(-c5ccc(C)cc5)ccc4o3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine?
The InChIKey is JNIUCFSFQPQSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-21-3-7-23(8-4-21)24-9-12-28-25(17-24)18-27(32-28)20-30-15-13-29(14-16-30)19-22-5-10-26(31-2)11-6-22/h3-12,17-18H,13-16,19-20H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine?
1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine has a molecular weight of 426.56 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine is sourced from PubChem (CID 24736116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).